Entry |
|
Name |
|
Formula |
C60H92N12O10
|
Exact mass |
1140.7059
|
Mol weight |
1141.4469
|
Structure |
|
Sequence |
0 D-Phe 1 Pro 2 Val 3 Orn 4 Leu (Dimer) |
Gene |
|
Organism |
Bacillus brevis (Brevibacillus brevis) |
Type |
NRP |
Pathway |
map01054 | Nonribosomal peptide structures |
|
Other DBs |
|
KCF data |
ATOM 82
1 C1y C 30.8854 -18.1927
2 C1x C 31.8707 -19.1769
3 C1x C 33.1112 -18.5440
4 C1x C 32.8923 -17.1688
5 N1y N 31.5168 -16.9516
6 C1y C 16.3537 -14.0513
7 C1x C 15.3616 -13.0602
8 C1x C 14.1123 -13.6977
9 C1x C 14.3326 -15.0827
10 N1y N 15.7179 -15.3013
11 C5a C 16.3643 -16.8170
12 O5a O 17.5736 -16.1127
13 N1b N 18.7745 -14.0440
14 C1c C 19.9832 -13.3372
15 C1c C 19.9760 -11.5877
16 C1a C 18.7605 -10.8881
17 C1a C 21.1847 -10.8809
18 C5a C 21.1918 -14.0369
19 O5a O 21.2059 -15.1961
20 N1b N 22.4004 -13.3301
21 C1c C 23.6090 -14.0298
22 C1b C 23.6019 -12.6304
23 C1b C 22.3863 -11.9307
24 C5a C 24.8176 -13.3232
25 O5a O 24.8105 -11.9237
26 N1b N 26.0263 -14.0228
27 C1c C 27.2348 -13.3160
28 C5a C 28.4434 -14.0157
29 O5a O 28.4546 -15.4152
30 N1b N 29.6520 -13.3089
31 C5a C 17.5586 -13.3512
32 O5a O 17.5508 -11.9518
33 C1b C 22.3845 -10.5312
34 N1a N 23.5956 -9.8300
35 C1c C 30.8679 -14.0018
36 C1b C 32.0759 -13.2953
37 C1b C 27.2317 -11.9166
38 C1c C 28.4421 -10.8643
39 C1a C 28.4390 -9.4649
40 C1a C 29.6556 -11.5613
41 C8y C 32.0681 -11.8959
42 C8x C 33.2322 -11.1953
43 C8x C 33.2711 -9.7959
44 C8x C 32.0552 -9.1029
45 C8x C 30.8472 -9.8095
46 C8x C 30.8550 -11.2089
47 N1b N 28.4629 -18.1962
48 C1c C 27.2531 -18.9009
49 C1c C 27.2577 -20.6503
50 C1a C 28.4719 -21.3523
51 C1a C 26.0478 -21.3550
52 C5a C 26.0458 -18.1989
53 O5a O 26.0805 -17.0397
54 N1b N 24.8360 -18.9036
55 C1c C 23.6285 -18.2017
56 C1b C 23.6331 -19.6012
57 C1b C 24.8475 -20.3030
58 C5a C 22.4187 -18.9062
59 O5a O 22.4233 -20.3056
60 N1b N 21.2113 -18.2042
61 C1c C 20.0015 -18.9089
62 C5a C 18.7941 -18.2069
63 O5a O 18.7854 -16.8075
64 N1b N 17.5843 -18.9116
65 C5a C 29.6777 -18.8914
66 O5a O 29.6829 -20.2908
67 C1b C 24.8467 -21.7025
68 N1a N 23.6343 -22.4015
69 C1c C 16.3695 -18.2164
70 C1b C 15.1136 -18.9208
71 C1b C 20.0020 -20.7983
72 C1c C 18.7903 -21.4986
73 C1a C 18.7908 -22.8980
74 C1a C 17.5780 -20.7991
75 C8y C 15.1191 -20.3202
76 C8x C 13.9069 -21.0187
77 C8x C 13.9122 -22.4180
78 C8x C 15.1267 -23.1132
79 C8x C 16.3359 -22.4088
80 C8x C 16.3773 -21.0094
81 C5a C 30.8758 -15.4013
82 O5a O 29.6676 -16.1077
BOND 86
1 28 30 1
2 13 14 1
3 41 42 2
4 42 43 1
5 43 44 2
6 44 45 1
7 45 46 2
8 46 41 1
9 14 15 1 #Up
10 15 16 1
11 15 17 1
12 14 18 1
13 18 19 2
14 18 20 1
15 20 21 1
16 21 22 1 #Down
17 22 23 1
18 21 24 1
19 24 25 2
20 24 26 1
21 26 27 1
22 8 9 1
23 13 31 1
24 9 10 1
25 31 32 2
26 10 6 1
27 61 62 1
28 62 63 2
29 62 64 1
30 47 48 1
31 48 49 1 #Up
32 49 50 1
33 49 51 1
34 48 52 1
35 52 53 2
36 52 54 1
37 54 55 1
38 55 56 1 #Down
39 56 57 1
40 55 58 1
41 58 59 2
42 58 60 1
43 60 61 1
44 23 33 1
45 47 65 1
46 5 1 1
47 65 66 2
48 33 34 1
49 57 67 1
50 67 68 1
51 30 35 1
52 64 69 1
53 11 12 2
54 69 70 1 #Down
55 35 36 1 #Down
56 61 71 1 #Up
57 1 2 1
58 71 72 1
59 27 37 1 #Up
60 72 73 1
61 2 3 1
62 72 74 1
63 37 38 1
64 70 75 1
65 3 4 1
66 38 39 1
67 4 5 1
68 38 40 1
69 6 7 1
70 75 76 2
71 76 77 1
72 77 78 2
73 78 79 1
74 79 80 2
75 80 75 1
76 36 41 1
77 7 8 1
78 81 82 2
79 11 69 1
80 35 81 1
81 31 6 1
82 11 10 1
83 65 1 1
84 81 5 1
85 27 28 1
86 28 29 2
|